Cholesteryl gamma-aminobutyrate
TL;DR: Cholesteryl gamma-aminobutyrate (CAS 89210-68-4) is a chemical compound with molecular formula C31H53NO3 and molecular weight 487.40 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[(3S,10R,13R,17R)-3-hydroxy-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-4-yl]amino]butanoic acid
Also Known As: Cholesteryl GABA, Cholesteryl gamma-aminobutyrate, Cholest-5-en-3-ol (3beta)-, 4-aminobutanoate, 4-[(3-Hydroxycholest-5-en-4-yl)amino]butanoic acid, 4-[[(3S,10R,13R,17R)-3-hydroxy-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-4-yl]amino]butanoic acid
| Molecular Formula | C31H53NO3 |
|---|---|
| Molecular Weight | 487.40 g/mol |
| LogP | 5.3 |
| Topological Polar Surface Area | 69.6 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 487.40256 |
| Heavy Atoms | 35 |
| Complexity | 777.0 |
Chemical Identifiers
| CAS Number | 89210-68-4 |
|---|---|
| SMILES | C[C@H](CCCC(C)C)[C@H]1CCC2[C@@]1(CCC3C2CC=C4[C@@]3(CC[C@@H](C4NCCCC(=O)O)O)C)C |
| InChIKey | XKAKGVWSPKWVGH-RLXQBPMMSA-N |
Product Overview
Cholesteryl gamma-aminobutyrate (CAS 89210-68-4), with molecular formula C31H53NO3 and molecular weight 487.40 g/mol. IUPAC: 4-[[(3S,10R,13R,17R)-3-hydroxy-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-4-yl]amino]butanoic acid.
Chemical Property Profile of Cholesteryl gamma-aminobutyrate
Property Insights of Cholesteryl gamma-aminobutyrate
The XLogP value of 5.3 indicates that Cholesteryl gamma-aminobutyrate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Cholesteryl gamma-aminobutyrate. Following Lipinski's Rule of Five, Cholesteryl gamma-aminobutyrate has 3 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Cholesteryl gamma-aminobutyrate?
The CAS number of Cholesteryl gamma-aminobutyrate is 89210-68-4.
What is the molecular formula of Cholesteryl gamma-aminobutyrate?
The molecular formula of Cholesteryl gamma-aminobutyrate is C31H53NO3.
What is the molecular weight of Cholesteryl gamma-aminobutyrate?
The molecular weight of Cholesteryl gamma-aminobutyrate is 487.40 g/mol.
Where can I buy Cholesteryl gamma-aminobutyrate?
You can request a quote for Cholesteryl gamma-aminobutyrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cholesteryl gamma-aminobutyrate?
Yes, KEHONG BIO provides custom synthesis services for Cholesteryl gamma-aminobutyrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.